N-[2-[2-(2,2-difluoropropoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine

C11H19F6NO2 — CID 159353472

IUPACN-[2-[2-(2,2-difluoropropoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine
SMILESCC(F)(F)COC(F)(F)COC(F)(F)CNC(C)(C)C
InChIInChI=1S/C11H19F6NO2/c1-8(2,3)18-5-10(14,15)20-7-11(16,17)19-6-9(4,12)13/h18H,5-7H2,1-4H3
InChIKeyXPOCIVUVVMMGHR-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.25
Rot. Bonds8

About N-[2-[2-(2,2-difluoropropoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine

N-[2-[2-(2,2-difluoropropoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine (PubChem CID 159353472) has the molecular formula C11H19F6NO2 and a molecular weight of 311.27 g/mol. Its IUPAC name is N-[2-[2-(2,2-difluoropropoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2,2-difluoropropoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine
PubChem CID159353472
Molecular FormulaC11H19F6NO2
Molecular Weight311.27 g/mol
Exact Mass311.13
IUPAC NameN-[2-[2-(2,2-difluoropropoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine
SMILESCC(F)(F)COC(F)(F)COC(F)(F)CNC(C)(C)C
InChIInChI=1S/C11H19F6NO2/c1-8(2,3)18-5-10(14,15)20-7-11(16,17)19-6-9(4,12)13/h18H,5-7H2,1-4H3
InChIKeyXPOCIVUVVMMGHR-UHFFFAOYSA-N
XLogP3.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,2-difluoropropoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[2-(2,2-difluoropropoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine (CID 159353472) is N-[2-[2-(2,2-difluoropropoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[2-(2,2-difluoropropoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[2-(2,2-difluoropropoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine is CC(F)(F)COC(F)(F)COC(F)(F)CNC(C)(C)C.
What is the InChIKey of N-[2-[2-(2,2-difluoropropoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine?
The InChIKey is XPOCIVUVVMMGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F6NO2/c1-8(2,3)18-5-10(14,15)20-7-11(16,17)19-6-9(4,12)13/h18H,5-7H2,1-4H3.
What are the key properties of N-[2-[2-(2,2-difluoropropoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine?
N-[2-[2-(2,2-difluoropropoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine has a molecular weight of 311.27 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,2-difluoropropoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 159353472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).